2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate

C19H16NO2- — CID 6975057

IUPAC2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate
SMILESCCc1ccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)cc1
InChIInChI=1S/C19H17NO2/c1-3-13-7-9-14(10-8-13)17-11-16(19(21)22)15-6-4-5-12(2)18(15)20-17/h4-11H,3H2,1-2H3,(H,21,22)/p-1
InChIKeyRECUOGALSOTYHL-UHFFFAOYSA-M
MW290.34 g/mol
LogP3.14
Rot. Bonds3

About 2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate

2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate (PubChem CID 6975057) has the molecular formula C19H16NO2- and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate
PubChem CID6975057
Molecular FormulaC19H16NO2-
Molecular Weight290.34 g/mol
Exact Mass290.12
IUPAC Name2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate
SMILESCCc1ccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)cc1
InChIInChI=1S/C19H17NO2/c1-3-13-7-9-14(10-8-13)17-11-16(19(21)22)15-6-4-5-12(2)18(15)20-17/h4-11H,3H2,1-2H3,(H,21,22)/p-1
InChIKeyRECUOGALSOTYHL-UHFFFAOYSA-M
XLogP3.14
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate?
The IUPAC name of 2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate (CID 6975057) is 2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate.
What is the SMILES notation for 2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate?
The canonical SMILES for 2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate is CCc1ccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate?
The InChIKey is RECUOGALSOTYHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H17NO2/c1-3-13-7-9-14(10-8-13)17-11-16(19(21)22)15-6-4-5-12(2)18(15)20-17/h4-11H,3H2,1-2H3,(H,21,22)/p-1.
What are the key properties of 2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate?
2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate is sourced from PubChem (CID 6975057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).